2-[[1-[2-[2-[[2-[[2-[[2-[[2-[[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[1-[2-[2-[[2-[[2-[[2-[[2-[[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]ethanoylamino]propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-acetamido-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-methyl-1-oxopentyl]amino]-4-methyl-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]acetyl]amino]propanoyl]prolyl]amino]-4-methyl-valeric acid Formula: C45H73N11O13 MolecularWeight: 976.12702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C(C)C)C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)NC(C(C)C)C(=O)NCC(=O)NC(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CN=CN2)NC(=O)C

InChI

InChI=1S/C45H73N11O13/c1-22(2)14-29(51-40(63)32(18-36(59)60)53-39(62)31(50-27(10)57)17-28-19-46-21-48-28)38(61)52-30(15-23(3)4)41(64)55-37(25(7)8)43(66)47-20-35(58)49-26(9)44(67)56-13-11-12-34(56)42(65)54-33(45(68)69)16-24(5)6/h19,21-26,29-34,37H,11-18,20H2,1-10H3,(H,46,48)(H,47,66)(H,49,58)(H,50,57)(H,51,63)(H,52,61)(H,53,62)(H,54,65)(H,55,64)(H,59,60)(H,68,69)